SCHEMBL2371208

SCHEMBL2371208

COc1ccc2c(c1)C(O)(CC(F)(F)C(N)=O)c1cc(Br)cnc1O2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 9/20 0.37
HPGDS O60760 2/20 0.33
PDK2 Q15119 3/20 0.32
KCNH2 Q12809 1/20 0.32
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
F2 P00734 1/20 0.31
GLA P06280 1/20 0.31
HPGD P15428 1/20 0.31
CTSD P07339 1/20 0.31
KDM4E B2RXH2 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2371422 0.77 BACE1 (0.40) BACE1PDK2NPC1RAB9AALDH1A1
SCHEMBL1995844 0.68 BACE1 (0.61) BACE1KCNH2CTSD
SCHEMBL15509817 0.68 BACE1 (0.61) BACE1KCNH2CTSD
SCHEMBL2000703 0.68 PDK2 (0.39) BACE1PDK2NPC1RAB9AALDH1A1
SCHEMBL2371327 0.68 AKR1B1 (0.39) BACE1CTSD
SCHEMBL2370326 0.67 BACE1 (0.33) BACE1HPGD
SCHEMBL15510008 0.62 BACE1 (0.68) BACE1KCNH2CTSD
SCHEMBL15518128 0.62 BACE1 (0.34) BACE1PDK2KCNH2RAB9ATSHR
SCHEMBL1994572 0.62 BACE1 (0.44) BACE1KCNH2
SCHEMBL1993454 0.61 BACE1 (0.76) BACE1KCNH2CTSD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP BACE1 1/4885HPGDS 3082/4885PDK2 3569/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.